SCHEMBL3445933

SCHEMBL3445933

CN(C)CCCOc1ccc([Mg]Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
ALDH1A1 P00352 4/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
HRH3 Q9Y5N1 5/20 0.59
LSS P48449 1/20 0.57
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
LTA4H P09960 1/20 0.46
MAPK14 Q16539 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3444833 0.95 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL6599624 0.91 HRH3 (0.58) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL9671156 0.84 KDM4E (0.83) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL3444465 0.83 KDM4E (0.58) KDM4EHRH3
SCHEMBL3135728 0.81 LTA4H (0.52) SMN1; SMN2CYP3A4CYP2D6LTA4H
SCHEMBL3444779 0.79 KDM4E (0.69) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL6903801 0.78 NR5A1 (0.56) LTA4H
SCHEMBL7849257 0.77 LTA4H (0.50) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL8226392 0.77 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2HRH3LSS
SCHEMBL3444130 0.76 ALDH1A1 (0.53) KDM4EALDH1A1SMN1; SMN2LSS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816475-B2 Aminoalkoxystyrene, process for preparation thereof, polymer thereof, process for producing the polymer and use thereof TOSOH CORPORATION (JP) 2010-10-19 US disclosed
EP-1829857-B1 Aminoalkoxystyrene, process for preparation thereof, polymer thereof, process for producing the polymer and use thereof TOSOH CORP (JP) 2009-11-04 EP disclosed
US-20070213490-A1 Aminoalkoxystyrene, process for preparation thereof, polymer thereof, process for producing the polymer and use thereof TOSOH CORPORATION 2007-09-13 US disclosed
EP-1829857-A1 Aminoalkoxystyrene, process for preparation thereof, polymer thereof, process for producing the polymer and use thereof Tosoh Corporation (JP) 2007-09-05 EP disclosed